5'-O-Dimethoxytrityl-O(4)-4-nitrophenylethyl-2'-O-4-nitrophenylethylsulfonyluridine
Basic information
- CAS
114522-13-3- Standard SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(OCCc4ccc([N+](=O)[O-])cc4)nc3=O)[C@H](O)[C@@H]2OS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
ZDSKUWRANBGSEL-QQIQMRLBSA-N- Molecular formula
- C46H44N4O14S
- Average molar mass
- 908.9 g/mol
- Monoisotopic mass
- 908.25747326
Overview
intermediate in oligoribonucleotide synthesis
Names & identifiers
- Preferred name
- 5'-O-Dimethoxytrityl-O(4)-4-nitrophenylethyl-2'-O-4-nitrophenylethylsulfonyluridine
- IUPAC
- [(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxy-5-[4-[2-(4-nitrophenyl)ethoxy]-2-oxopyrimidin-1-yl]oxolan-3-yl] 2-(4-nitrophenyl)ethanesulfonate
- English name
- 5'-O-dimethoxytrityl-O(4)-4-nitrophenylethyl-2'-O-4-nitrophenylethylsulfonyluridine
- Molecular formula
- C46H44N4O14S
- Molecular weight
- 908.92
Names & synonyms
5-Dtnesu114522-13-35'-O-Dimethoxytrityl-O(4)-4-nitrophenylethyl-2'-O-4-nitrophenylethylsulfonyluridineRefChem:1008475'-O-DIMETHOXYTRITYL-O(4)-4-NITROPHENYLETHYL-2'-O...Uridine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-4-O-[2-(4-nitrophenyl)ethyl]-, 3'-(4-nitrobenzeneethanesulfonate) (9CI)
Database identifiers
- CAS
114522-13-3- PubChem CID
- 195087
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 242 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 18
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,710
Physicochemical properties
- Boiling point
- 1033.3 · 1033.3±75.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 12.71 · 12.71±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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